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Wirawan Purwanto

  1. Recent developments in the PySCF program package
    2020/02/29 by Qiming Sun, Xing Zhang, Samragni Banerjee +56 · 234 citations
    Chemical Engineering · Chemistry · Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Chemistry #Computational science #Computer science #Database #Engineering #Machine Learning in Materials Science #Molecule #Programming language #Python (programming language) #Quantum chemistry #Software engineering #Supramolecular chemistry #Systems engineering #Workflow #physics.chem-ph #physics.comp-ph